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Compound Detail

CHEMBL282461

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O=[N+]([O-])c1cnc(N(CCCl)CCCl)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL282461
Phase Preclinical
Structure Type MOL
InChI Key ZOVABAGIQNPQRV-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

270.1
MW (Da)
2.34
ALogP
5
HBA
0
HBD
59.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H9Cl2N3O2S
MW 270.14
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.56

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9111301 10.1021/jm960794l Modulator of drug activity A 2
9111301 10.1021/jm960794l T78-1 1

Data from ChEMBL 36 via Core Engine